(5S)-5-methyl-N'-(4-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-methyl-N'-(4-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-methyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-methyl-N'-[(4-methylsulfonylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-methyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-N'-(4-mesylbenzoyl)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O4S2/c1-11-3-8-15-13(9-11)10-16(25-15)18(22)20-19-17(21)12-4-6-14(7-5-12)26(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,21)(H,20,22)/t11-/m0/s1